Li, F.; Wu, H.; Li, L.; Li, X.; Zhao, J.; Peijnenburg, W. J. G. M. Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor. Ecotoxicology and Environmental Safety 2012, 80, 273 - 279.
Compound
| ID: | 11-OHBgCh | |
|---|---|---|
| Name: | 11-hydroxybenzo[g]chrysene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C22H14O/c23-21-11-5-10-19-17(21)12-13-20-16-8-2-1-6-14(16)15-7-3-4-9-18(15)22(19)20/h1-13,23H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -0.706 |
experimental value |
| -0.818 |
PLS: Model for polycyclic aromatic hydrocarbons (Training set) |